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3,4-Difluorobenzyl alcohol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

3,4-Difluorobenzyl alcohol, heptafluorobutyrate
SpectraBase Compound ID 7u6YovTN0Bo
InChI InChI=1S/C11H5F9O2/c12-6-2-1-5(3-7(6)13)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2
InChIKey GDSMWSXQPXFGTM-UHFFFAOYSA-N
Mol Weight 340.14 g/mol
Molecular Formula C11H5F9O2
Exact Mass 340.014583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FbE1NrUMt6j
Name 3,4-Difluorobenzyl alcohol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.014582866 u
Formula C11H5F9O2
InChI InChI=1S/C11H5F9O2/c12-6-2-1-5(3-7(6)13)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2
InChIKey GDSMWSXQPXFGTM-UHFFFAOYSA-N
Molecular Weight 340.145 g/mol
SMILES C1(=CC=C(C(=C1)F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818232